Density functional theory investigation of mechanisms of degradation reactions of sulfonated PEEK membranes with OH radicals in fuel cells: addition-elimination reactions and acid catalyzed water elimination.
Jonathan E StevensCourtney M PefleyAlice PiatkowskiZachary R SmithNikolina OgnanovichPublished in: Theoretical chemistry accounts (2023)
The online version contains supplementary material available at 10.1007/s00214-023-02981-2.